N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide

C24H15FN2O2 — CID 1364335

IUPACN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H15FN2O2/c25-19-7-3-6-18(13-19)24-27-21-14-20(10-11-22(21)29-24)26-23(28)17-9-8-15-4-1-2-5-16(15)12-17/h1-14H,(H,26,28)
InChIKeyCMBNUIQHOJRGNI-UHFFFAOYSA-N
MW382.39 g/mol
LogP6.04
Rot. Bonds3

About N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide

N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide (PubChem CID 1364335) has the molecular formula C24H15FN2O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide
PubChem CID1364335
Molecular FormulaC24H15FN2O2
Molecular Weight382.39 g/mol
Exact Mass382.11
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H15FN2O2/c25-19-7-3-6-18(13-19)24-27-21-14-20(10-11-22(21)29-24)26-23(28)17-9-8-15-4-1-2-5-16(15)12-17/h1-14H,(H,26,28)
InChIKeyCMBNUIQHOJRGNI-UHFFFAOYSA-N
XLogP6.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide (CID 1364335) is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide is O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide?
The InChIKey is CMBNUIQHOJRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O2/c25-19-7-3-6-18(13-19)24-27-21-14-20(10-11-22(21)29-24)26-23(28)17-9-8-15-4-1-2-5-16(15)12-17/h1-14H,(H,26,28).
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide?
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 6.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 1364335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).